12-undecyltricosan-12-ylphosphane

C34H71P — CID 21324491

IUPAC12-undecyltricosan-12-ylphosphane
SMILESCCCCCCCCCCCC(P)(CCCCCCCCCCC)CCCCCCCCCCC
InChIInChI=1S/C34H71P/c1-4-7-10-13-16-19-22-25-28-31-34(35,32-29-26-23-20-17-14-11-8-5-2)33-30-27-24-21-18-15-12-9-6-3/h4-33,35H2,1-3H3
InChIKeyFJDQLGSGTDAITQ-UHFFFAOYSA-N
MW510.92 g/mol
LogP13.36
Rot. Bonds30

About 12-undecyltricosan-12-ylphosphane

12-undecyltricosan-12-ylphosphane (PubChem CID 21324491) has the molecular formula C34H71P and a molecular weight of 510.92 g/mol. Its IUPAC name is 12-undecyltricosan-12-ylphosphane.

Molecular Properties

Compound Name12-undecyltricosan-12-ylphosphane
PubChem CID21324491
Molecular FormulaC34H71P
Molecular Weight510.92 g/mol
Exact Mass510.53
IUPAC Name12-undecyltricosan-12-ylphosphane
SMILESCCCCCCCCCCCC(P)(CCCCCCCCCCC)CCCCCCCCCCC
InChIInChI=1S/C34H71P/c1-4-7-10-13-16-19-22-25-28-31-34(35,32-29-26-23-20-17-14-11-8-5-2)33-30-27-24-21-18-15-12-9-6-3/h4-33,35H2,1-3H3
InChIKeyFJDQLGSGTDAITQ-UHFFFAOYSA-N
XLogP13.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.92
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

7-butyltridecan-7-ylphosphane
CID 118892798
12-undecyltricosan-12-ylphosphane;hydrate
CID 173445625
13-dodecylpentacosan-13-ylphosphane;hydroiodide
CID 173401812
7-hexyltridecan-7-ylphosphane;hydrobromide
CID 173158553
9-phosphanylheptacosan-9-ylphosphane
CID 174586813
5-butylnonan-5-ylphosphane;phosphane;hydroiodide
CID 174377690
2-pentyl-2-phosphanylpropane-1,3-diol
CID 87113603
9-octylheptadecan-9-ylphosphane;trifluoromethanesulfonic acid
CID 173110087
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
9,9-dioctyloctadecane
CID 19690418
8-hexyl-8-pentylhexadecane
CID 521602

Frequently Asked Questions

What is the IUPAC name of 12-undecyltricosan-12-ylphosphane?
The IUPAC name of 12-undecyltricosan-12-ylphosphane (CID 21324491) is 12-undecyltricosan-12-ylphosphane.
What is the SMILES notation for 12-undecyltricosan-12-ylphosphane?
The canonical SMILES for 12-undecyltricosan-12-ylphosphane is CCCCCCCCCCCC(P)(CCCCCCCCCCC)CCCCCCCCCCC.
What is the InChIKey of 12-undecyltricosan-12-ylphosphane?
The InChIKey is FJDQLGSGTDAITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H71P/c1-4-7-10-13-16-19-22-25-28-31-34(35,32-29-26-23-20-17-14-11-8-5-2)33-30-27-24-21-18-15-12-9-6-3/h4-33,35H2,1-3H3.
What are the key properties of 12-undecyltricosan-12-ylphosphane?
12-undecyltricosan-12-ylphosphane has a molecular weight of 510.92 g/mol, XLogP of 13.36, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-undecyltricosan-12-ylphosphane is sourced from PubChem (CID 21324491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).